2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde

C24H22N4O — CID 174611941

IUPAC2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde
SMILESCc1nc(N)nc2c1C(C=O)CC(c1ccccc1-c1cccc3cc[nH]c13)C2
InChIInChI=1S/C24H22N4O/c1-14-22-17(13-29)11-16(12-21(22)28-24(25)27-14)18-6-2-3-7-19(18)20-8-4-5-15-9-10-26-23(15)20/h2-10,13,16-17,26H,11-12H2,1H3,(H2,25,27,28)
InChIKeyUNVQWJCXTYWYGK-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.53
Rot. Bonds3

About 2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde

2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde (PubChem CID 174611941) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde
PubChem CID174611941
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde
SMILESCc1nc(N)nc2c1C(C=O)CC(c1ccccc1-c1cccc3cc[nH]c13)C2
InChIInChI=1S/C24H22N4O/c1-14-22-17(13-29)11-16(12-21(22)28-24(25)27-14)18-6-2-3-7-19(18)20-8-4-5-15-9-10-26-23(15)20/h2-10,13,16-17,26H,11-12H2,1H3,(H2,25,27,28)
InChIKeyUNVQWJCXTYWYGK-UHFFFAOYSA-N
XLogP4.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde?
The IUPAC name of 2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde (CID 174611941) is 2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde.
What is the SMILES notation for 2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde?
The canonical SMILES for 2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde is Cc1nc(N)nc2c1C(C=O)CC(c1ccccc1-c1cccc3cc[nH]c13)C2.
What is the InChIKey of 2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde?
The InChIKey is UNVQWJCXTYWYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-14-22-17(13-29)11-16(12-21(22)28-24(25)27-14)18-6-2-3-7-19(18)20-8-4-5-15-9-10-26-23(15)20/h2-10,13,16-17,26H,11-12H2,1H3,(H2,25,27,28).
What are the key properties of 2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde?
2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde has a molecular weight of 382.47 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde is sourced from PubChem (CID 174611941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).