2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine

C28H29N5O — CID 3233226

IUPAC2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3nc(-c4ccccc4CN(C)C)nc4ccccc34)c2c1
InChIInChI=1S/C28H29N5O/c1-33(2)18-20-8-4-5-9-22(20)28-31-26-11-7-6-10-23(26)27(32-28)29-15-14-19-17-30-25-13-12-21(34-3)16-24(19)25/h4-13,16-17,30H,14-15,18H2,1-3H3,(H,29,31,32)
InChIKeyJRLYZPBQPYHZPH-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.50
Rot. Bonds8

About 2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine

2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine (PubChem CID 3233226) has the molecular formula C28H29N5O and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
PubChem CID3233226
Molecular FormulaC28H29N5O
Molecular Weight451.57 g/mol
Exact Mass451.24
IUPAC Name2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3nc(-c4ccccc4CN(C)C)nc4ccccc34)c2c1
InChIInChI=1S/C28H29N5O/c1-33(2)18-20-8-4-5-9-22(20)28-31-26-11-7-6-10-23(26)27(32-28)29-15-14-19-17-30-25-13-12-21(34-3)16-24(19)25/h4-13,16-17,30H,14-15,18H2,1-3H3,(H,29,31,32)
InChIKeyJRLYZPBQPYHZPH-UHFFFAOYSA-N
XLogP5.50
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine with MolForge

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Related Compounds

2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3235047
5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3232824
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
CID 110432899
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline
CID 167890692
7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
CID 57329531
2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 21003978
1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine
CID 11278391
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
CID 24850006

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine (CID 3233226) is 2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine is COc1ccc2[nH]cc(CCNc3nc(-c4ccccc4CN(C)C)nc4ccccc34)c2c1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is JRLYZPBQPYHZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O/c1-33(2)18-20-8-4-5-9-22(20)28-31-26-11-7-6-10-23(26)27(32-28)29-15-14-19-17-30-25-13-12-21(34-3)16-24(19)25/h4-13,16-17,30H,14-15,18H2,1-3H3,(H,29,31,32).
What are the key properties of 2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 451.57 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 3233226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).