N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine

C16H14ClFN4O — CID 99802726

IUPACN-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(N[C@@H](C)c3ccc(Cl)cn3)ncnc2cc1F
InChIInChI=1S/C16H14ClFN4O/c1-9(13-4-3-10(17)7-19-13)22-16-11-5-15(23-2)12(18)6-14(11)20-8-21-16/h3-9H,1-2H3,(H,20,21,22)/t9-/m0/s1
InChIKeyHNVFXEGFILLCCJ-VIFPVBQESA-N
MW332.77 g/mol
LogP4.00
Rot. Bonds4

About N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine

N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine (PubChem CID 99802726) has the molecular formula C16H14ClFN4O and a molecular weight of 332.77 g/mol. Its IUPAC name is N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine
PubChem CID99802726
Molecular FormulaC16H14ClFN4O
Molecular Weight332.77 g/mol
Exact Mass332.08
IUPAC NameN-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(N[C@@H](C)c3ccc(Cl)cn3)ncnc2cc1F
InChIInChI=1S/C16H14ClFN4O/c1-9(13-4-3-10(17)7-19-13)22-16-11-5-15(23-2)12(18)6-14(11)20-8-21-16/h3-9H,1-2H3,(H,20,21,22)/t9-/m0/s1
InChIKeyHNVFXEGFILLCCJ-VIFPVBQESA-N
XLogP4.00
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine with MolForge

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Related Compounds

6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 146131899
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol
CID 66755493
7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine
CID 133492096
7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine
CID 146148083
6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 69232909
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate
CID 7174370
ethyl 7-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 45141768
N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 133475530
6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline
CID 150898043
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine?
The IUPAC name of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine (CID 99802726) is N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine.
What is the SMILES notation for N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine?
The canonical SMILES for N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine is COc1cc2c(N[C@@H](C)c3ccc(Cl)cn3)ncnc2cc1F.
What is the InChIKey of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine?
The InChIKey is HNVFXEGFILLCCJ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14ClFN4O/c1-9(13-4-3-10(17)7-19-13)22-16-11-5-15(23-2)12(18)6-14(11)20-8-21-16/h3-9H,1-2H3,(H,20,21,22)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine?
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine has a molecular weight of 332.77 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 99802726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).