4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol

C30H28ClFN6O2 — CID 163965980

IUPAC4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol
SMILESC=Cc1ncc2n1CCN(c1nc(OCCN(C)C)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2
InChIInChI=1S/C30H28ClFN6O2/c1-4-25-33-16-19-17-37(9-10-38(19)25)29-23-15-24(31)26(22-14-20(39)13-18-7-5-6-8-21(18)22)27(32)28(23)34-30(35-29)40-12-11-36(2)3/h4-8,13-16,39H,1,9-12,17H2,2-3H3
InChIKeySLUQNZOSUXAFBM-UHFFFAOYSA-N
MW559.05 g/mol
LogP5.75
Rot. Bonds7

About 4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol

4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol (PubChem CID 163965980) has the molecular formula C30H28ClFN6O2 and a molecular weight of 559.05 g/mol. Its IUPAC name is 4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol
PubChem CID163965980
Molecular FormulaC30H28ClFN6O2
Molecular Weight559.05 g/mol
Exact Mass558.19
IUPAC Name4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol
SMILESC=Cc1ncc2n1CCN(c1nc(OCCN(C)C)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2
InChIInChI=1S/C30H28ClFN6O2/c1-4-25-33-16-19-17-37(9-10-38(19)25)29-23-15-24(31)26(22-14-20(39)13-18-7-5-6-8-21(18)22)27(32)28(23)34-30(35-29)40-12-11-36(2)3/h4-8,13-16,39H,1,9-12,17H2,2-3H3
InChIKeySLUQNZOSUXAFBM-UHFFFAOYSA-N
XLogP5.75
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.05
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol (CID 163965980) is 4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol is C=Cc1ncc2n1CCN(c1nc(OCCN(C)C)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2.
What is the InChIKey of 4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol?
The InChIKey is SLUQNZOSUXAFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClFN6O2/c1-4-25-33-16-19-17-37(9-10-38(19)25)29-23-15-24(31)26(22-14-20(39)13-18-7-5-6-8-21(18)22)27(32)28(23)34-30(35-29)40-12-11-36(2)3/h4-8,13-16,39H,1,9-12,17H2,2-3H3.
What are the key properties of 4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol?
4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol has a molecular weight of 559.05 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 163965980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).