N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine

C29H30N4O2 — CID 118331929

IUPACN-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine
SMILESCOCCOc1cccc2c(NCc3ccccc3)nc(-n3c(C(C)C)cc4ccccc43)nc12
InChIInChI=1S/C29H30N4O2/c1-20(2)25-18-22-12-7-8-14-24(22)33(25)29-31-27-23(13-9-15-26(27)35-17-16-34-3)28(32-29)30-19-21-10-5-4-6-11-21/h4-15,18,20H,16-17,19H2,1-3H3,(H,30,31,32)
InChIKeyPDAWRQPCHZWAMD-UHFFFAOYSA-N
MW466.59 g/mol
LogP6.33
Rot. Bonds9

About N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine

N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine (PubChem CID 118331929) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine
PubChem CID118331929
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC NameN-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine
SMILESCOCCOc1cccc2c(NCc3ccccc3)nc(-n3c(C(C)C)cc4ccccc43)nc12
InChIInChI=1S/C29H30N4O2/c1-20(2)25-18-22-12-7-8-14-24(22)33(25)29-31-27-23(13-9-15-26(27)35-17-16-34-3)28(32-29)30-19-21-10-5-4-6-11-21/h4-15,18,20H,16-17,19H2,1-3H3,(H,30,31,32)
InChIKeyPDAWRQPCHZWAMD-UHFFFAOYSA-N
XLogP6.33
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine
CID 73053321
N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 141401056
1-[4-(benzylamino)-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 118141204
2-[2-(aminomethyl)indol-1-yl]-N-[[3-[2-(benzenesulfonyl)ethenyl]phenyl]methyl]-8-methoxyquinazolin-4-amine
CID 123940963
2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
CID 58523940
3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one
CID 118331924
[3-[[[8-(2-aminoethoxy)-2-(4-carbamoylbenzotriazol-1-yl)quinazolin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205528
1-[4-(benzylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-propan-2-ylindole-4-carboxamide
CID 73051760
N-benzyl-2-(2-methoxyethoxy)-4-methylaniline
CID 60935556
[3-[[[8-(2-aminoethoxy)-2-(4-carbamoyl-2-methyl-2,3-dihydroindol-1-yl)quinazolin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205955
5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine
CID 71489821
4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455310

Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine?
The IUPAC name of N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine (CID 118331929) is N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine is COCCOc1cccc2c(NCc3ccccc3)nc(-n3c(C(C)C)cc4ccccc43)nc12.
What is the InChIKey of N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine?
The InChIKey is PDAWRQPCHZWAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-20(2)25-18-22-12-7-8-14-24(22)33(25)29-31-27-23(13-9-15-26(27)35-17-16-34-3)28(32-29)30-19-21-10-5-4-6-11-21/h4-15,18,20H,16-17,19H2,1-3H3,(H,30,31,32).
What are the key properties of N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine?
N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine has a molecular weight of 466.59 g/mol, XLogP of 6.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine is sourced from PubChem (CID 118331929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).