7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one

C14H16ClN3O2 — CID 136952769

IUPAC7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CNCC2(CO)CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H16ClN3O2/c15-9-1-2-10-11(5-9)17-12(18-13(10)20)6-16-7-14(8-19)3-4-14/h1-2,5,16,19H,3-4,6-8H2,(H,17,18,20)
InChIKeyIQMSNTQQOZEMBF-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.44
Rot. Bonds5

About 7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one

7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one (PubChem CID 136952769) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one
PubChem CID136952769
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CNCC2(CO)CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H16ClN3O2/c15-9-1-2-10-11(5-9)17-12(18-13(10)20)6-16-7-14(8-19)3-4-14/h1-2,5,16,19H,3-4,6-8H2,(H,17,18,20)
InChIKeyIQMSNTQQOZEMBF-UHFFFAOYSA-N
XLogP1.44
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(but-3-enylamino)methyl]-7-chloro-3H-quinazolin-4-one
CID 137000471
7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one
CID 136827796
7-chloro-2-[(2-methoxypropylamino)methyl]-3H-quinazolin-4-one
CID 136820283
7-chloro-2-[(1,3-thiazol-5-ylmethylamino)methyl]-3H-quinazolin-4-one
CID 136993685
7-chloro-2-[(4-methylsulfanylbutylamino)methyl]-3H-quinazolin-4-one
CID 136930268
7-chloro-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-quinazolin-4-one
CID 137001388
7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one
CID 136786642
2-[(2-but-3-enoxyethylamino)methyl]-7-chloro-3H-quinazolin-4-one
CID 136690678
3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methylamino]butanamide
CID 136952206
7-chloro-2-[[[(S)-(4-methylphenyl)-phenylmethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809534
7-chloro-2-[[(1-methylpyrazol-3-yl)amino]methyl]-3H-quinazolin-4-one
CID 136921064
7-chloro-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136786648

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one (CID 136952769) is 7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one is O=c1[nH]c(CNCC2(CO)CC2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one?
The InChIKey is IQMSNTQQOZEMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-9-1-2-10-11(5-9)17-12(18-13(10)20)6-16-7-14(8-19)3-4-14/h1-2,5,16,19H,3-4,6-8H2,(H,17,18,20).
What are the key properties of 7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one?
7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one has a molecular weight of 293.75 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136952769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).