1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine

C24H25N5O — CID 4884591

IUPAC1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CNc2nc(-c3cccnc3)nc3ccccc23)N(C)C)cc1
InChIInChI=1S/C24H25N5O/c1-29(2)22(17-10-12-19(30-3)13-11-17)16-26-24-20-8-4-5-9-21(20)27-23(28-24)18-7-6-14-25-15-18/h4-15,22H,16H2,1-3H3,(H,26,27,28)
InChIKeyLPXXLDUTBILXBZ-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.42
Rot. Bonds7

About 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine

1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine (PubChem CID 4884591) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine
PubChem CID4884591
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CNc2nc(-c3cccnc3)nc3ccccc23)N(C)C)cc1
InChIInChI=1S/C24H25N5O/c1-29(2)22(17-10-12-19(30-3)13-11-17)16-26-24-20-8-4-5-9-21(20)27-23(28-24)18-7-6-14-25-15-18/h4-15,22H,16H2,1-3H3,(H,26,27,28)
InChIKeyLPXXLDUTBILXBZ-UHFFFAOYSA-N
XLogP4.42
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine with MolForge

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Related Compounds

Verubulin
CID 11414799
7-Methoxyquinazoline
CID 12213273
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Evp4593
CID 509554
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25150857
2-Aminoquinazoline 20
CID 5330318
1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 155195529
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine (CID 4884591) is 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine is COc1ccc(C(CNc2nc(-c3cccnc3)nc3ccccc23)N(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine?
The InChIKey is LPXXLDUTBILXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-29(2)22(17-10-12-19(30-3)13-11-17)16-26-24-20-8-4-5-9-21(20)27-23(28-24)18-7-6-14-25-15-18/h4-15,22H,16H2,1-3H3,(H,26,27,28).
What are the key properties of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine?
1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine has a molecular weight of 399.50 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 4884591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).