N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide

C28H30N6O2 — CID 169231836

IUPACN-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCN(C)CCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)C12CC(C1)C2
InChIInChI=1S/C28H30N6O2/c1-33(2)9-10-36-24-12-22-20(11-23(24)31-27(35)28-13-18(14-28)15-28)26(30-17-29-22)21-16-34(3)32-25(21)19-7-5-4-6-8-19/h4-8,11-12,16-18H,9-10,13-15H2,1-3H3,(H,31,35)
InChIKeySGQCJVDYKLKMPG-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.38
Rot. Bonds8

About N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide

N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 169231836) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID169231836
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC NameN-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCN(C)CCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)C12CC(C1)C2
InChIInChI=1S/C28H30N6O2/c1-33(2)9-10-36-24-12-22-20(11-23(24)31-27(35)28-13-18(14-28)15-28)26(30-17-29-22)21-16-34(3)32-25(21)19-7-5-4-6-8-19/h4-8,11-12,16-18H,9-10,13-15H2,1-3H3,(H,31,35)
InChIKeySGQCJVDYKLKMPG-UHFFFAOYSA-N
XLogP4.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide (CID 169231836) is N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide is CN(C)CCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)C12CC(C1)C2.
What is the InChIKey of N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is SGQCJVDYKLKMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-33(2)9-10-36-24-12-22-20(11-23(24)31-27(35)28-13-18(14-28)15-28)26(30-17-29-22)21-16-34(3)32-25(21)19-7-5-4-6-8-19/h4-8,11-12,16-18H,9-10,13-15H2,1-3H3,(H,31,35).
What are the key properties of N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide?
N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 169231836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).