6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine

C54H44N8O2 — CID 144943611

IUPAC6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1cccc(COc2cc(C)cc(-c3ncccc3-c3ccc4ncnc(N)c4c3)c2)c1.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCc4ccccc4)c3)cc12
InChIInChI=1S/C28H24N4O.C26H20N4O/c1-18-5-3-6-20(11-18)16-33-23-13-19(2)12-22(14-23)27-24(7-4-10-30-27)21-8-9-26-25(15-21)28(29)32-17-31-26;27-26-23-15-19(11-12-24(23)29-17-30-26)22-10-5-13-28-25(22)20-8-4-9-21(14-20)31-16-18-6-2-1-3-7-18/h3-15,17H,16H2,1-2H3,(H2,29,31,32);1-15,17H,16H2,(H2,27,29,30)
InChIKeyPNZMXAAOVLXSSN-UHFFFAOYSA-N
MW837.00 g/mol
LogP11.66
Rot. Bonds10

About 6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine

6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 144943611) has the molecular formula C54H44N8O2 and a molecular weight of 837.00 g/mol. Its IUPAC name is 6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID144943611
Molecular FormulaC54H44N8O2
Molecular Weight837.00 g/mol
Exact Mass836.36
IUPAC Name6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1cccc(COc2cc(C)cc(-c3ncccc3-c3ccc4ncnc(N)c4c3)c2)c1.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCc4ccccc4)c3)cc12
InChIInChI=1S/C28H24N4O.C26H20N4O/c1-18-5-3-6-20(11-18)16-33-23-13-19(2)12-22(14-23)27-24(7-4-10-30-27)21-8-9-26-25(15-21)28(29)32-17-31-26;27-26-23-15-19(11-12-24(23)29-17-30-26)22-10-5-13-28-25(22)20-8-4-9-21(14-20)31-16-18-6-2-1-3-7-18/h3-15,17H,16H2,1-2H3,(H2,29,31,32);1-15,17H,16H2,(H2,27,29,30)
InChIKeyPNZMXAAOVLXSSN-UHFFFAOYSA-N
XLogP11.66
TPSA147.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.00
LogP ≤ 511.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
Dibenzo[c,f][2,7]naphthyridine, 12
CID 17754398
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-6-yloxy)pyrimidin-4-amine
CID 23644667
Dibenzo[c,f][2,7]naphthyridine, 14
CID 23648180
6-(3-Methoxyphenyl)quinazolin-4-amine
CID 90054634
N-[4-(benzyloxy)phenyl]-6-(prop-2-en-1-yloxy)quinazolin-4-amine
CID 5329485
6-Ethyl-5-{3-[3-(Isoquinolin-5-Yl)-5-Methoxyphenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 71560296
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
N-(3-phenylpropyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967861
4-([1,1'-Biphenyl]-4-ylmethylamino)-7-((1-(2-(quinolin-4-ylamino)ethyl) piperidin-4-yl)methoxy)quinazoline
CID 117968550
Dibenzo[c,f][2,7]naphthyridine, 13
CID 23648179
4-Aminoquinazoline derivative, 6a
CID 50898518

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine (CID 144943611) is 6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine is Cc1cccc(COc2cc(C)cc(-c3ncccc3-c3ccc4ncnc(N)c4c3)c2)c1.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCc4ccccc4)c3)cc12.
What is the InChIKey of 6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is PNZMXAAOVLXSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O.C26H20N4O/c1-18-5-3-6-20(11-18)16-33-23-13-19(2)12-22(14-23)27-24(7-4-10-30-27)21-8-9-26-25(15-21)28(29)32-17-31-26;27-26-23-15-19(11-12-24(23)29-17-30-26)22-10-5-13-28-25(22)20-8-4-9-21(14-20)31-16-18-6-2-1-3-7-18/h3-15,17H,16H2,1-2H3,(H2,29,31,32);1-15,17H,16H2,(H2,27,29,30).
What are the key properties of 6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine?
6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 837.00 g/mol, XLogP of 11.66, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 144943611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).