6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine

C17H16IN3O — CID 69232909

IUPAC6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
SMILESCOc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1I
InChIInChI=1S/C17H16IN3O/c1-11(12-6-4-3-5-7-12)21-17-13-8-14(18)16(22-2)9-15(13)19-10-20-17/h3-11H,1-2H3,(H,19,20,21)/t11-/m1/s1
InChIKeyGDDOAKPMILNFDC-LLVKDONJSA-N
MW405.24 g/mol
LogP4.42
Rot. Bonds4

About 6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine

6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine (PubChem CID 69232909) has the molecular formula C17H16IN3O and a molecular weight of 405.24 g/mol. Its IUPAC name is 6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
PubChem CID69232909
Molecular FormulaC17H16IN3O
Molecular Weight405.24 g/mol
Exact Mass405.03
IUPAC Name6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
SMILESCOc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1I
InChIInChI=1S/C17H16IN3O/c1-11(12-6-4-3-5-7-12)21-17-13-8-14(18)16(22-2)9-15(13)19-10-20-17/h3-11H,1-2H3,(H,19,20,21)/t11-/m1/s1
InChIKeyGDDOAKPMILNFDC-LLVKDONJSA-N
XLogP4.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
6-(azetidin-3-yloxy)-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 141221554
7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
CID 69197419
4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one
CID 67348087
4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexan-1-one
CID 58157263
4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol
CID 66755493
6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline
CID 150898043
6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine
CID 18788999
7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine
CID 146148083
3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea
CID 59837969
3-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxypropan-1-ol
CID 22269993
6-N-(5-chloro-2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145756

Frequently Asked Questions

What is the IUPAC name of 6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The IUPAC name of 6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine (CID 69232909) is 6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine.
What is the SMILES notation for 6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The canonical SMILES for 6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine is COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1I.
What is the InChIKey of 6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The InChIKey is GDDOAKPMILNFDC-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16IN3O/c1-11(12-6-4-3-5-7-12)21-17-13-8-14(18)16(22-2)9-15(13)19-10-20-17/h3-11H,1-2H3,(H,19,20,21)/t11-/m1/s1.
What are the key properties of 6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine has a molecular weight of 405.24 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine is sourced from PubChem (CID 69232909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).