7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one

C16H21N3O3 — CID 167028862

IUPAC7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
SMILESCOc1cc2nc(C)[nH]c(=O)c2cc1OC[C@@H]1CCCN1C
InChIInChI=1S/C16H21N3O3/c1-10-17-13-8-14(21-3)15(7-12(13)16(20)18-10)22-9-11-5-4-6-19(11)2/h7-8,11H,4-6,9H2,1-3H3,(H,17,18,20)/t11-/m0/s1
InChIKeyBVFAJIBWFLYCEH-NSHDSACASA-N
MW303.36 g/mol
LogP1.71
Rot. Bonds4

About 7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one

7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one (PubChem CID 167028862) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
PubChem CID167028862
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
SMILESCOc1cc2nc(C)[nH]c(=O)c2cc1OC[C@@H]1CCCN1C
InChIInChI=1S/C16H21N3O3/c1-10-17-13-8-14(21-3)15(7-12(13)16(20)18-10)22-9-11-5-4-6-19(11)2/h7-8,11H,4-6,9H2,1-3H3,(H,17,18,20)/t11-/m0/s1
InChIKeyBVFAJIBWFLYCEH-NSHDSACASA-N
XLogP1.71
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one?
The IUPAC name of 7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one (CID 167028862) is 7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one.
What is the SMILES notation for 7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one?
The canonical SMILES for 7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one is COc1cc2nc(C)[nH]c(=O)c2cc1OC[C@@H]1CCCN1C.
What is the InChIKey of 7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one?
The InChIKey is BVFAJIBWFLYCEH-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-17-13-8-14(21-3)15(7-12(13)16(20)18-10)22-9-11-5-4-6-19(11)2/h7-8,11H,4-6,9H2,1-3H3,(H,17,18,20)/t11-/m0/s1.
What are the key properties of 7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one?
7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one has a molecular weight of 303.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one is sourced from PubChem (CID 167028862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).