N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide

C25H24N4O2 — CID 68945376

IUPACN-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)Cc1ccco1
InChIInChI=1S/C25H24N4O2/c1-17(30)29(15-22-6-3-11-31-22)14-18-4-2-5-19(12-18)20-7-10-24-23(13-20)25(27-16-26-24)28-21-8-9-21/h2-7,10-13,16,21H,8-9,14-15H2,1H3,(H,26,27,28)
InChIKeyNSEAFXCBZBUXSS-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.01
Rot. Bonds7

About N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide

N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 68945376) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID68945376
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)Cc1ccco1
InChIInChI=1S/C25H24N4O2/c1-17(30)29(15-22-6-3-11-31-22)14-18-4-2-5-19(12-18)20-7-10-24-23(13-20)25(27-16-26-24)28-21-8-9-21/h2-7,10-13,16,21H,8-9,14-15H2,1H3,(H,26,27,28)
InChIKeyNSEAFXCBZBUXSS-UHFFFAOYSA-N
XLogP5.01
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 57435010
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide
CID 68945902
6-chloro-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 87630600
N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]phenyl]quinazolin-4-amine;pentanoic acid
CID 172789188
6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine
CID 68942507
N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]isoquinoline-3-carboxamide
CID 45121578
N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]phenyl]quinazolin-4-amine;pyrazine-2-carboxylic acid
CID 172857134
N-cyclopropyl-6-[3-[1-(cyclopropylamino)ethyl]phenyl]quinazolin-4-amine
CID 68946542
6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide
CID 139454422
N-benzyl-2-cyano-N-[[3-[4-(propan-2-ylamino)quinazolin-6-yl]phenyl]methyl]acetamide
CID 68946084
N-benzyl-N-[[3-[4-(propan-2-ylamino)quinazolin-6-yl]phenyl]methyl]thiophene-2-carboxamide
CID 68943878
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide
CID 68943724

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide (CID 68945376) is N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide is CC(=O)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)Cc1ccco1.
What is the InChIKey of N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NSEAFXCBZBUXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17(30)29(15-22-6-3-11-31-22)14-18-4-2-5-19(12-18)20-7-10-24-23(13-20)25(27-16-26-24)28-21-8-9-21/h2-7,10-13,16,21H,8-9,14-15H2,1H3,(H,26,27,28).
What are the key properties of N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide?
N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 68945376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).