1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol

C19H20ClN3O2 — CID 86941486

IUPAC1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol
SMILESCN(CC(O)COCc1ccccc1)c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C19H20ClN3O2/c1-23(10-16(24)12-25-11-14-5-3-2-4-6-14)19-17-8-7-15(20)9-18(17)21-13-22-19/h2-9,13,16,24H,10-12H2,1H3
InChIKeyWGIHDNQABYVTQV-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.30
Rot. Bonds7

About 1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol

1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol (PubChem CID 86941486) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol
PubChem CID86941486
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol
SMILESCN(CC(O)COCc1ccccc1)c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C19H20ClN3O2/c1-23(10-16(24)12-25-11-14-5-3-2-4-6-14)19-17-8-7-15(20)9-18(17)21-13-22-19/h2-9,13,16,24H,10-12H2,1H3
InChIKeyWGIHDNQABYVTQV-UHFFFAOYSA-N
XLogP3.30
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol with MolForge

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Related Compounds

3-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]pyrazine-2-carbonitrile
CID 95623485
7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 160960043
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
methyl 4-[(2-hydroxy-3-phenylmethoxypropyl)-methylamino]benzoate
CID 3810253
(2S)-1-[2-chloroprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629006
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519
7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine
CID 133322606
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one
CID 124721801
CID 172760983
CID 172760983
2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol
CID 102940911
(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629005

Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol (CID 86941486) is 1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol is CN(CC(O)COCc1ccccc1)c1ncnc2cc(Cl)ccc12.
What is the InChIKey of 1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol?
The InChIKey is WGIHDNQABYVTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-23(10-16(24)12-25-11-14-5-3-2-4-6-14)19-17-8-7-15(20)9-18(17)21-13-22-19/h2-9,13,16,24H,10-12H2,1H3.
What are the key properties of 1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol?
1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol has a molecular weight of 357.84 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 86941486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).