2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide

C19H22N4O — CID 143745298

IUPAC2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide
SMILESC=C/C=C(\C=C/C)CN(C)C(=O)c1nc(N)nc2ccc(C)cc12
InChIInChI=1S/C19H22N4O/c1-5-7-14(8-6-2)12-23(4)18(24)17-15-11-13(3)9-10-16(15)21-19(20)22-17/h5-11H,1,12H2,2-4H3,(H2,20,21,22)/b8-6-,14-7+
InChIKeyMKRAWSVBUUXSDK-VGVFFUEXSA-N
MW322.41 g/mol
LogP3.28
Rot. Bonds5

About 2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide

2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide (PubChem CID 143745298) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide
PubChem CID143745298
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide
SMILESC=C/C=C(\C=C/C)CN(C)C(=O)c1nc(N)nc2ccc(C)cc12
InChIInChI=1S/C19H22N4O/c1-5-7-14(8-6-2)12-23(4)18(24)17-15-11-13(3)9-10-16(15)21-19(20)22-17/h5-11H,1,12H2,2-4H3,(H2,20,21,22)/b8-6-,14-7+
InChIKeyMKRAWSVBUUXSDK-VGVFFUEXSA-N
XLogP3.28
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide (CID 143745298) is 2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide is C=C/C=C(\C=C/C)CN(C)C(=O)c1nc(N)nc2ccc(C)cc12.
What is the InChIKey of 2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide?
The InChIKey is MKRAWSVBUUXSDK-VGVFFUEXSA-N. The full InChI is InChI=1S/C19H22N4O/c1-5-7-14(8-6-2)12-23(4)18(24)17-15-11-13(3)9-10-16(15)21-19(20)22-17/h5-11H,1,12H2,2-4H3,(H2,20,21,22)/b8-6-,14-7+.
What are the key properties of 2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide?
2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide is sourced from PubChem (CID 143745298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).