2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one

C60H75FN10O4 — CID 155336020

About 2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one

2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 155336020) has the molecular formula C60H75FN10O4 and a molecular weight of 1019.32 g/mol. Its IUPAC name is 2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one
• PubChem CID: 155336020
• Molecular Formula: C60H75FN10O4
• Molecular Weight: 1019.32 g/mol
• Exact Mass: 1018.60
• IUPAC Name: 2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@@]2(CCc4c(cccc4C4C[C@@H](COc5nc6c(c(N7CCN(C(=O)C(=C)F)CC7)n5)CC[C@@]5(CCc7ccccc7C5)C6)N(C)C4)C2)C3)CC1
• InChI: InChI=1S/C60H75FN10O4/c1-5-53(72)68-24-26-69(27-25-68)54-50-18-22-60(36-52(50)62-57(64-54)74-38-45-13-9-23-66(45)3)20-16-48-43(34-60)12-8-14-47(48)44-32-46(67(4)37-44)39-75-58-63-51-35-59(19-15-41-10-6-7-11-42(41)33-59)21-17-49(51)55(65-58)70-28-30-71(31-29-70)56(73)40(2)61/h5-8,10-12,14,44-46H,1-2,9,13,15-39H2,3-4H3/t44?,45-,46-,59+,60+/m0/s1
• InChIKey: DTPAPTZXNYKSEV-GEYPDQLKSA-N
• XLogP: 6.90
• TPSA: 123.60 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1019.32
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one?

The IUPAC name of 2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one (CID 155336020) is 2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for 2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@@]2(CCc4c(cccc4C4C[C@@H](COc5nc6c(c(N7CCN(C(=O)C(=C)F)CC7)n5)CC[C@@]5(CCc7ccccc7C5)C6)N(C)C4)C2)C3)CC1.

What is the InChIKey of 2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one?

The InChIKey is DTPAPTZXNYKSEV-GEYPDQLKSA-N. The full InChI is InChI=1S/C60H75FN10O4/c1-5-53(72)68-24-26-69(27-25-68)54-50-18-22-60(36-52(50)62-57(64-54)74-38-45-13-9-23-66(45)3)20-16-48-43(34-60)12-8-14-47(48)44-32-46(67(4)37-44)39-75-58-63-51-35-59(19-15-41-10-6-7-11-42(41)33-59)21-17-49(51)55(65-58)70-28-30-71(31-29-70)56(73)40(2)61/h5-8,10-12,14,44-46H,1-2,9,13,15-39H2,3-4H3/t44?,45-,46-,59+,60+/m0/s1.

What are the key properties of 2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one?

2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 1019.32 g/mol, XLogP of 6.90, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-1-[4-[(3R)-2'-[[(2S)-1-methyl-4-[(7R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)spiro[6,8-dihydro-5H-quinazoline-7,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 155336020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).