8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine

C20H23N5O — CID 162394494

IUPAC8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
SMILESCc1c(Nc2ncc3cccc(C4CC4)c3n2)cnn1C1CCOCC1
InChIInChI=1S/C20H23N5O/c1-13-18(12-22-25(13)16-7-9-26-10-8-16)23-20-21-11-15-3-2-4-17(14-5-6-14)19(15)24-20/h2-4,11-12,14,16H,5-10H2,1H3,(H,21,23,24)
InChIKeyFQSXQNNVERFAFF-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.11
Rot. Bonds4

About 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine

8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine (PubChem CID 162394494) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine.

Molecular Properties

Compound Name8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
PubChem CID162394494
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
SMILESCc1c(Nc2ncc3cccc(C4CC4)c3n2)cnn1C1CCOCC1
InChIInChI=1S/C20H23N5O/c1-13-18(12-22-25(13)16-7-9-26-10-8-16)23-20-21-11-15-3-2-4-17(14-5-6-14)19(15)24-20/h2-4,11-12,14,16H,5-10H2,1H3,(H,21,23,24)
InChIKeyFQSXQNNVERFAFF-UHFFFAOYSA-N
XLogP4.11
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-Methyl-2-[(7-methylcinnolin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
CID 146275586
(4S)-4-methyl-3-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]-1,3-oxazolidin-2-one
CID 162747827
1-[4-[[2-[(1-Methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone
CID 162423118
2-[2-[[5-Methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile
CID 166631949
1-[2-[[5-Methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile
CID 166632787
2-[2-[[5-Chloro-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile
CID 166634611
8-(1-methyl-1H-pyrazol-4-yl)-N-(2-methyl-4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyrido[3,4-d]pyrimidin-2-amine
CID 73386976
4-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-1-N-(oxan-4-yl)cyclohexane-1,4-diamine
CID 78357764
2-[(1-Methylpyrazol-4-yl)amino]-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile
CID 118475320
US10214537, Example 16
CID 130363152
US10214537, Example 17
CID 132210009
Alk5-IN-28
CID 163404129

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine?
The IUPAC name of 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine (CID 162394494) is 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine.
What is the SMILES notation for 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine?
The canonical SMILES for 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine is Cc1c(Nc2ncc3cccc(C4CC4)c3n2)cnn1C1CCOCC1.
What is the InChIKey of 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine?
The InChIKey is FQSXQNNVERFAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-18(12-22-25(13)16-7-9-26-10-8-16)23-20-21-11-15-3-2-4-17(14-5-6-14)19(15)24-20/h2-4,11-12,14,16H,5-10H2,1H3,(H,21,23,24).
What are the key properties of 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine?
8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine is sourced from PubChem (CID 162394494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).