N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine

C24H26N4O — CID 123805456

IUPACN-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine
SMILESCCc1[nH]c(C)c(C)c1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1
InChIInChI=1S/C24H26N4O/c1-5-19-21(15(2)16(3)26-19)24-27-22-18(12-9-13-20(22)29-4)23(28-24)25-14-17-10-7-6-8-11-17/h6-13,26H,5,14H2,1-4H3,(H,25,27,28)
InChIKeyJDCIDHFUWZKAPF-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.42
Rot. Bonds6

About N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine

N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine (PubChem CID 123805456) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine
PubChem CID123805456
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine
SMILESCCc1[nH]c(C)c(C)c1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1
InChIInChI=1S/C24H26N4O/c1-5-19-21(15(2)16(3)26-19)24-27-22-18(12-9-13-20(22)29-4)23(28-24)25-14-17-10-7-6-8-11-17/h6-13,26H,5,14H2,1-4H3,(H,25,27,28)
InChIKeyJDCIDHFUWZKAPF-UHFFFAOYSA-N
XLogP5.42
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine
CID 73053321
2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
CID 58523940
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine
CID 19988693
[3-[[[8-(2-aminoethoxy)-2-(7-carbamoyl-2-methyl-1H-indol-3-yl)quinazolin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205198
1-(8-methoxy-4-methylquinazolin-2-yl)-N-methylmethanamine
CID 105471316
4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline
CID 2147141
3-ethyl-8-methoxy-2-methylquinolin-4-amine
CID 62203733
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 68518029
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine?
The IUPAC name of N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine (CID 123805456) is N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine is CCc1[nH]c(C)c(C)c1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1.
What is the InChIKey of N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine?
The InChIKey is JDCIDHFUWZKAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-5-19-21(15(2)16(3)26-19)24-27-22-18(12-9-13-20(22)29-4)23(28-24)25-14-17-10-7-6-8-11-17/h6-13,26H,5,14H2,1-4H3,(H,25,27,28).
What are the key properties of N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine?
N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine has a molecular weight of 386.50 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-ethyl-4,5-dimethyl-1H-pyrrol-3-yl)-8-methoxyquinazolin-4-amine is sourced from PubChem (CID 123805456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).