N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine

C28H38N4O2 — CID 118610340

IUPACN-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine
SMILESCOCCN(C)C1(C2(C)CC2)N=C(N2CCC(c3ccccc3OC)CC2)c2ccccc2N1
InChIInChI=1S/C28H38N4O2/c1-27(15-16-27)28(31(2)19-20-33-3)29-24-11-7-5-10-23(24)26(30-28)32-17-13-21(14-18-32)22-9-6-8-12-25(22)34-4/h5-12,21,29H,13-20H2,1-4H3
InChIKeyZGPFWDSXAYSCOO-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.78
Rot. Bonds7

About N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine

N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine (PubChem CID 118610340) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine
PubChem CID118610340
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC NameN-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine
SMILESCOCCN(C)C1(C2(C)CC2)N=C(N2CCC(c3ccccc3OC)CC2)c2ccccc2N1
InChIInChI=1S/C28H38N4O2/c1-27(15-16-27)28(31(2)19-20-33-3)29-24-11-7-5-10-23(24)26(30-28)32-17-13-21(14-18-32)22-9-6-8-12-25(22)34-4/h5-12,21,29H,13-20H2,1-4H3
InChIKeyZGPFWDSXAYSCOO-UHFFFAOYSA-N
XLogP4.78
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine (CID 118610340) is N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine is COCCN(C)C1(C2(C)CC2)N=C(N2CCC(c3ccccc3OC)CC2)c2ccccc2N1.
What is the InChIKey of N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine?
The InChIKey is ZGPFWDSXAYSCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-27(15-16-27)28(31(2)19-20-33-3)29-24-11-7-5-10-23(24)26(30-28)32-17-13-21(14-18-32)22-9-6-8-12-25(22)34-4/h5-12,21,29H,13-20H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine?
N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine has a molecular weight of 462.64 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-1H-quinazolin-2-amine is sourced from PubChem (CID 118610340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).