cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone

C20H25N5O — CID 126896004

IUPACcyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C20H25N5O/c26-20(15-3-4-15)25-11-9-23(10-12-25)16-5-6-18-17(13-16)19(22-14-21-18)24-7-1-2-8-24/h5-6,13-15H,1-4,7-12H2
InChIKeyRYCPSCJGUWLDKH-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.29
Rot. Bonds3

About cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone

cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone (PubChem CID 126896004) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
PubChem CID126896004
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Namecyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C20H25N5O/c26-20(15-3-4-15)25-11-9-23(10-12-25)16-5-6-18-17(13-16)19(22-14-21-18)24-7-1-2-8-24/h5-6,13-15H,1-4,7-12H2
InChIKeyRYCPSCJGUWLDKH-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
CID 126896023
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189
cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896284
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896112
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896032
3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126896027
[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842499
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896083
3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126896066
7-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]azepan-2-one
CID 126896117

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone (CID 126896004) is cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1.
What is the InChIKey of cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone?
The InChIKey is RYCPSCJGUWLDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-20(15-3-4-15)25-11-9-23(10-12-25)16-5-6-18-17(13-16)19(22-14-21-18)24-7-1-2-8-24/h5-6,13-15H,1-4,7-12H2.
What are the key properties of cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126896004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).