N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide

C24H21N5O — CID 24685608

IUPACN-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(CNc2nc(-c3ccncc3)nc3ccccc23)c1)C1CC1
InChIInChI=1S/C24H21N5O/c30-24(18-8-9-18)27-19-5-3-4-16(14-19)15-26-23-20-6-1-2-7-21(20)28-22(29-23)17-10-12-25-13-11-17/h1-7,10-14,18H,8-9,15H2,(H,27,30)(H,26,28,29)
InChIKeyYAOLXTYQTNZGDN-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.65
Rot. Bonds6

About N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 24685608) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID24685608
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC NameN-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(CNc2nc(-c3ccncc3)nc3ccccc23)c1)C1CC1
InChIInChI=1S/C24H21N5O/c30-24(18-8-9-18)27-19-5-3-4-16(14-19)15-26-23-20-6-1-2-7-21(20)28-22(29-23)17-10-12-25-13-11-17/h1-7,10-14,18H,8-9,15H2,(H,27,30)(H,26,28,29)
InChIKeyYAOLXTYQTNZGDN-UHFFFAOYSA-N
XLogP4.65
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133310369
N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133310371
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide
CID 17408613
N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316306
N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 24567449
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 69015517
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29450444
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide
CID 110916589
1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133326352

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide (CID 24685608) is N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(CNc2nc(-c3ccncc3)nc3ccccc23)c1)C1CC1.
What is the InChIKey of N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is YAOLXTYQTNZGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c30-24(18-8-9-18)27-19-5-3-4-16(14-19)15-26-23-20-6-1-2-7-21(20)28-22(29-23)17-10-12-25-13-11-17/h1-7,10-14,18H,8-9,15H2,(H,27,30)(H,26,28,29).
What are the key properties of N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 395.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24685608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).