4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide

C26H27N7O3 — CID 66762459

IUPAC4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
SMILESCOCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C3CC3)[nH]n2)c1
InChIInChI=1S/C26H27N7O3/c1-36-11-10-20(31-25-19-7-3-6-18(24(27)34)23(19)28-14-29-25)16-4-2-5-17(12-16)30-26(35)22-13-21(32-33-22)15-8-9-15/h2-7,12-15,20H,8-11H2,1H3,(H2,27,34)(H,30,35)(H,32,33)(H,28,29,31)
InChIKeyGPYJJUQMUZUDRC-UHFFFAOYSA-N
MW485.55 g/mol
LogP3.77
Rot. Bonds10

About 4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide

4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide (PubChem CID 66762459) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is 4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
PubChem CID66762459
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Name4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
SMILESCOCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C3CC3)[nH]n2)c1
InChIInChI=1S/C26H27N7O3/c1-36-11-10-20(31-25-19-7-3-6-18(24(27)34)23(19)28-14-29-25)16-4-2-5-17(12-16)30-26(35)22-13-21(32-33-22)15-8-9-15/h2-7,12-15,20H,8-11H2,1H3,(H2,27,34)(H,30,35)(H,32,33)(H,28,29,31)
InChIKeyGPYJJUQMUZUDRC-UHFFFAOYSA-N
XLogP3.77
TPSA147.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide (CID 66762459) is 4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide is COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C3CC3)[nH]n2)c1.
What is the InChIKey of 4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide?
The InChIKey is GPYJJUQMUZUDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-36-11-10-20(31-25-19-7-3-6-18(24(27)34)23(19)28-14-29-25)16-4-2-5-17(12-16)30-26(35)22-13-21(32-33-22)15-8-9-15/h2-7,12-15,20H,8-11H2,1H3,(H2,27,34)(H,30,35)(H,32,33)(H,28,29,31).
What are the key properties of 4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide?
4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide has a molecular weight of 485.55 g/mol, XLogP of 3.77, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66762459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).