N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine

C26H27N3O3 — CID 146326403

IUPACN-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc2ncnc(C(NC(C)C)c3ccc(Oc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C26H27N3O3/c1-17(2)29-25(18-10-12-20(13-11-18)32-19-8-6-5-7-9-19)26-21-14-23(30-3)24(31-4)15-22(21)27-16-28-26/h5-17,25,29H,1-4H3
InChIKeyKPRKDUVWPWCYOK-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.53
Rot. Bonds8

About N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine

N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine (PubChem CID 146326403) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine
PubChem CID146326403
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc2ncnc(C(NC(C)C)c3ccc(Oc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C26H27N3O3/c1-17(2)29-25(18-10-12-20(13-11-18)32-19-8-6-5-7-9-19)26-21-14-23(30-3)24(31-4)15-22(21)27-16-28-26/h5-17,25,29H,1-4H3
InChIKeyKPRKDUVWPWCYOK-UHFFFAOYSA-N
XLogP5.53
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline
CID 122184999
6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine
CID 122628612
6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline
CID 164758170
6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine
CID 122628532
N'-[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethyl]-N-propylmethanediamine
CID 145172257
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine
CID 18788999
6,7-dimethoxy-4-phenylsulfanylquinazoline
CID 141248835
2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene
CID 143595124
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
4-(6-methoxy-7-propoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 11752632

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine (CID 146326403) is N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine is COc1cc2ncnc(C(NC(C)C)c3ccc(Oc4ccccc4)cc3)c2cc1OC.
What is the InChIKey of N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine?
The InChIKey is KPRKDUVWPWCYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17(2)29-25(18-10-12-20(13-11-18)32-19-8-6-5-7-9-19)26-21-14-23(30-3)24(31-4)15-22(21)27-16-28-26/h5-17,25,29H,1-4H3.
What are the key properties of N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine?
N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine has a molecular weight of 429.52 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 146326403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).