pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate

C27H26N6O2 — CID 24994261

IUPACpyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate
SMILESO=C(Oc1cnccn1)N(Cc1cccc(-c2ccc3ncnc(N4CCCC4)c3c2)c1)C1CC1
InChIInChI=1S/C27H26N6O2/c34-27(35-25-16-28-10-11-29-25)33(22-7-8-22)17-19-4-3-5-20(14-19)21-6-9-24-23(15-21)26(31-18-30-24)32-12-1-2-13-32/h3-6,9-11,14-16,18,22H,1-2,7-8,12-13,17H2
InChIKeyZLZIDIPMDODYII-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.85
Rot. Bonds6

About pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate

pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate (PubChem CID 24994261) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate
PubChem CID24994261
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Namepyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate
SMILESO=C(Oc1cnccn1)N(Cc1cccc(-c2ccc3ncnc(N4CCCC4)c3c2)c1)C1CC1
InChIInChI=1S/C27H26N6O2/c34-27(35-25-16-28-10-11-29-25)33(22-7-8-22)17-19-4-3-5-20(14-19)21-6-9-24-23(15-21)26(31-18-30-24)32-12-1-2-13-32/h3-6,9-11,14-16,18,22H,1-2,7-8,12-13,17H2
InChIKeyZLZIDIPMDODYII-UHFFFAOYSA-N
XLogP4.85
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione
CID 57434941
N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 68948207
N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide
CID 68942535
N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide
CID 68944022
N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]phenyl]quinazolin-4-amine;pyrazine-2-carboxylic acid
CID 172857134
4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 163354927
N-cyclopropyl-3-phenyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]propanamide
CID 68947229
2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide
CID 57435011
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 57435010
methyl N-(4-aminocyclohexyl)-N-[[3-[3-benzamido-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]carbamate
CID 23736689
6-chloro-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 87630600
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate?
The IUPAC name of pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate (CID 24994261) is pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate.
What is the SMILES notation for pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate?
The canonical SMILES for pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate is O=C(Oc1cnccn1)N(Cc1cccc(-c2ccc3ncnc(N4CCCC4)c3c2)c1)C1CC1.
What is the InChIKey of pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate?
The InChIKey is ZLZIDIPMDODYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c34-27(35-25-16-28-10-11-29-25)33(22-7-8-22)17-19-4-3-5-20(14-19)21-6-9-24-23(15-21)26(31-18-30-24)32-12-1-2-13-32/h3-6,9-11,14-16,18,22H,1-2,7-8,12-13,17H2.
What are the key properties of pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate?
pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate has a molecular weight of 466.55 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 24994261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).